N-[(E)-1-(5-nitrothiophen-2-yl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(5-nitrothiophen-2-yl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(5-nitro-2-thienyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(5-nitro-2-thiophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(E)-1-(5-nitrothiophen-2-yl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-1-(5-nitro-2-thienyl)ethylideneamino]-3H-phthalazine-1-carboxamide Formula: C15H11N5O4S MolecularWeight: 357.34394

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=NNC(=O)C2=CC=CC=C21)/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C15H11N5O4S/c1-8(11-6-7-12(25-11)20(23)24)16-19-15(22)13-9-4-2-3-5-10(9)14(21)18-17-13/h2-7H,1H3,(H,18,21)(H,19,22)/b16-8+